5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C21H15F3N6O — CID 122640647

IUPAC5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1-c1cccnc1
InChIInChI=1S/C21H15F3N6O/c22-21(23,24)14-7-8-18(27-11-14)29-20(31)16-12-28-30(19(16)25)17-6-2-1-5-15(17)13-4-3-9-26-10-13/h1-12H,25H2,(H,27,29,31)
InChIKeyNHXNACVJURWBDY-UHFFFAOYSA-N
MW424.39 g/mol
LogP4.18
Rot. Bonds4

About 5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 122640647) has the molecular formula C21H15F3N6O and a molecular weight of 424.39 g/mol. Its IUPAC name is 5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID122640647
Molecular FormulaC21H15F3N6O
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC Name5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1-c1cccnc1
InChIInChI=1S/C21H15F3N6O/c22-21(23,24)14-7-8-18(27-11-14)29-20(31)16-12-28-30(19(16)25)17-6-2-1-5-15(17)13-4-3-9-26-10-13/h1-12H,25H2,(H,27,29,31)
InChIKeyNHXNACVJURWBDY-UHFFFAOYSA-N
XLogP4.18
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 122640647) is 5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Nc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1-c1cccnc1.
What is the InChIKey of 5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is NHXNACVJURWBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O/c22-21(23,24)14-7-8-18(27-11-14)29-20(31)16-12-28-30(19(16)25)17-6-2-1-5-15(17)13-4-3-9-26-10-13/h1-12H,25H2,(H,27,29,31).
What are the key properties of 5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 424.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 122640647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).